SCHEMBL48451

SCHEMBL48451

CC(COOC(C)(C)C)c1ccccc1C(C)COOC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
RIPK1 Q13546 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
GABRB3 P28472 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10811127 0.86 MAPK1 (0.33) TSHRMAPK1
SCHEMBL6165853 0.83 TSHR (0.36) TSHRRIPK1
SCHEMBL1077953 0.82 RIPK1 (0.48) TSHRRIPK1ALDH1A1HSD17B10TDP1
SCHEMBL361156 0.79 RIPK1 (0.35) TSHRRIPK1ALDH1A1
SCHEMBL28217326 0.78 RIPK1 (0.44) RIPK1
SCHEMBL449071 0.77 RIPK1 (0.35) RIPK1
SCHEMBL14762749 0.76 ALOX15 (0.35) TSHRALDH1A1HSD17B10TDP1HPGD
SCHEMBL21268000 0.75 TSHR (0.33) TSHRRIPK1
SCHEMBL449053 0.75
SCHEMBL4084906 0.74 IDO1 (0.37) RIPK1LMNAHPGDHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2732 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11986044-B2 High energy return foam compositions having improved abrasion resistance and uses thereof NIKE, INC. (US) 2024-05-21 US claimed
US-11976165-B2 Method for producing double metal cyanide catalysts COVESTRO DEUTSCHLAND AG (DE) 2024-05-07 US claimed
US-11957202-B2 2024-04-16 US claimed
EP-3592735-B1 AN IMPROVED PROCESS FOR THE PREPARATION OF TETROFOSMIN OR ACID ADDITION SALT THEREOF JUBILANT GENERICS LTD FORMERLY A DIVISION OF JUBILANT LIFE SCIENCES LTD (IN) 2024-03-20 EP claimed
US-11924979-B2 Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer and semiconductor device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-03-05 US claimed
US-11918072-B2 2024-03-05 US claimed
WO-2024020546-A2 AMINOINDOLE ANTIDEGRADANT COMPOUNDS AND USES THEREOF FLEXSYS AMERICA L.P. (US) 2024-01-25 WO claimed
US-11879030-B2 Liquid composition comprising three initiators, its process of polymerization, use and material or composition obtained following polymerization of composition ARKEMA FRANCE (FR) 2024-01-23 US claimed
WO-2023235855-A1 QUINOLINEAMINE ANTIDEGRADANT COMPOUNDS AND USES THEREOF FLEXSYS AMERICA L.P. (US) 2023-12-07 WO claimed
WO-2023215590-A2 ANTIDEGRADANT COMPOUNDS AND USES THEREOF FLEXSYS AMERICA L.P. (US) 2023-11-09 WO claimed
EP-0632062-B1 New polypropylenes obtainable by chemical degrading DANUBIA PETROCHEM POLYMERE (AT) 1997-10-08 EP claimed
EP-0768156-A2 Process for polymer degradation UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-04-16 EP claimed
US-5589526-A ELASTOMERIC CARRIER, POLYALKENAMER, PLASTICIZER, FILLER PEROXID-CHEMIE GMBH (DE) 1996-12-31 US claimed
US-5587434-A DEPOLYMERIZATION BY ADDING A FREE RADICAL GENERATOR; PROCESS CONTROL UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-12-24 US claimed
EP-0708132-A1 Masterbatch composition comprising organic peroxide Peroxid-Chemie GmbH (DE) 1996-04-24 EP claimed
US-5447199-A Fracturing a subterranean formation with gel fluid by pumping into well bores BJ SERVICES COMPANY (US) 1995-09-05 US claimed
US-5443898-A Heating to cause partial degradation FIBERWEB NORTH AMERICA, INC. (US) 1995-08-22 US claimed
EP-0214361-B1 SCORCH RESISTANT, CROSSLINKABLE COMPOSITION CONTAINING MIXTURE OF COPPER AND METAL DITHIOCARBAMATES ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1993-06-23 EP claimed
EP-0214361-A2 Scorch resistant, crosslinkable composition containing mixture of copper and metal dithiocarbamates ATOCHEM NORTH AMERICA, INC. (a Pennsylvania corp.) (US) 1987-03-18 EP claimed
US-4632950-A Scorch resistant, crosslinkable composition containing mixture of copper and metal dithiocarbamates PENNWALT CORPORATION (US) 1986-12-30 US claimed